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Information card for entry 1507883
Preview
| Coordinates | 1507883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H17 N3 O3 S2 |
|---|---|
| Calculated formula | C23 H17 N3 O3 S2 |
| SMILES | S1C2N3CC(=O)NC3=C(C#N)C(C=2C(=O)c2c1cc(SC)cc2)c1ccc(OC)cc1 |
| Title of publication | One-pot multicomponent cascade reaction of N,S-ketene acetal: solvent-free synthesis of imidazo[1,2-a]thiochromeno[3,2-e]pyridines. |
| Authors of publication | Li, Ming; Cao, Han; Wang, Yong; Lv, Xiu-Liang; Wen, Li-Rong |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 13 |
| Pages of publication | 3470 - 3473 |
| a | 10.776 ± 0.002 Å |
| b | 10.992 ± 0.002 Å |
| c | 11.889 ± 0.002 Å |
| α | 72.81 ± 0.03° |
| β | 70.62 ± 0.03° |
| γ | 67.65 ± 0.03° |
| Cell volume | 1205.3 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.087 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.1627 |
| Weighted residual factors for all reflections included in the refinement | 0.1753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507883.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507883.cif |
| 113466 | 2014-05-13 | cif/ Updating files of 1507882, 1507883 Original log message: Adding full bibliography for 1507882--1507883.cif. |
1507883.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507883.cif |
| 62368 | 2012-07-07 | cif/ Adding structures of 1507882, 1507883 via cif-deposit CGI script. |
1507883.cif |
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